S-[2-[4-[2-hydroxyethyl(naphthalen-1-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[2-hydroxyethyl(naphthalen-1-ylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[2-hydroxyethyl(1-naphthylsulfonyl)amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(1-naphthalenylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[2-hydroxyethyl(naphthalen-1-ylsulfonyl)amino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[2-hydroxyethyl(1-naphthylsulfonyl)amino]phenyl]-2-keto-ethyl] ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)N(CCO)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21NO5S2/c1-16(25)29-15-21(26)18-9-11-19(12-10-18)23(13-14-24)30(27,28)22-8-4-6-17-5-2-3-7-20(17)22/h2-12,24H,13-15H2,1H3